SCHEMBL22374591

SCHEMBL22374591

N#Cc1ccc2[nH]cc(CCCCN3CCC(NC(=O)O)CC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.59
ACHE P22303 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8871993 0.85 HTR1A (0.54) HTR1ASLC6A4
SCHEMBL6345334 0.83 HTR1A (0.64) HTR1A
SCHEMBL17063682 0.83 HTR1A (0.63) HTR1A
SCHEMBL8872125 0.82 HTR1A (0.52) HTR1ASLC6A4
SCHEMBL11247527 0.82 HTR6 (0.65) HTR1A
SCHEMBL8553986 0.81 HTR6 (0.64) HTR1A
SCHEMBL3094934 0.81 HTR1A (0.68) HTR1A
SCHEMBL27336161 0.80 HTR1A (0.67) HTR1A
SCHEMBL15586371 0.79 HTR1A (0.68) HTR1A
SCHEMBL8558104 0.79 SLC6A4 (0.61) HTR1ASLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 HTR1A 4708/4885ACHE 1602/4885SLC6A2 4018/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.